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CS-W001157 4
Total: USD 88.00

7-Nitro-1H-3,1-benzoxazine-2,4-dion

  • CAS No. 63480-10-4

  • Cat. No. CS-W023087
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

7-Nitro-1H-3,1-benzoxazine-2,4-dion|CS-W023087

Structure of 63480-10-4

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General Information

  • CAS No. 63480-10-4
  • Cat. No. CS-W023087
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄N₂O₅
  • Molecular Weight 208.13
  • Synonym(s) 7-Nitro-2H-3,1-benzoxazine-2,4(1H)-dione
  • SMILES O=C(O1)NC2=CC([N+]([O-])=O)=CC=C2C1=O

Synthesis

  • Route1
    • null|null
      32315-10-9
    • In-stock
      2-Amino-4-nitrobenzoic acid|CS-W002027
      619-17-0
    • ~46%
    • In-stock
      7-Nitro-1H-3,1-benzoxazine-2,4-dion|CS-W023087
      63480-10-4

    References

    • Langlois; Soulier; Rampillon; Gallais; Bremont; Shen; Yang; Giudice; Sureau European Journal of Medicinal Chemistry, 1994 , vol. 29, # 12 p. 925 - 940
  • Route2
    • null|null
      530-62-1
    • In-stock
      2-Amino-4-nitrobenzoic acid|CS-W002027
      619-17-0
    • ~90%
    • In-stock
      7-Nitro-1H-3,1-benzoxazine-2,4-dion|CS-W023087
      63480-10-4

    References

    • Gibbs, Alan C.; Abad, Marta C.; Zhang, Xuqing; Tounge, Brett A.; Lewandowski, Francis A.; Struble, Geoffrey T.; Sun, Weimei; Sui, Zhihua; Kuo, Lawrence C. Journal of Medicinal Chemistry, 2010 , vol. 53, # 22 p. 7979 - 7991

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   106.21
  • LogP   0.3895
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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